|From:||Shu Wang <swang597@...107...>|
|Date:||Thu, 03 Aug 2017 15:26:05 +0000|
I want to calculate COM (center of mass) of each group in the same linear polymer molecule.(e.g.. COM of the phenyl group) I think I should use Compute chunk/atom command.
But How to define different groups in the same linear polymer molecule as different chunks?